EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

vanillin hexylene glycol acetal
phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-

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CAS Number: 52514-66-6Picture of molecule3D/inchi
% from:70.00% to 75.00%
ECHA EINECS - REACH Pre-Reg:257-986-2
Nikkaji Web:J86.592C
XlogP3-AA:2.40 (est)
Molecular Weight:252.31020000
Formula:C14 H20 O4
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:hexylene glycol 22.00% to 27.00%
 vanillin 2.00% to 5.00%
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 70.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 358.00 to 359.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000012 mm/Hg @ 25.00 °C. (est)
Flash Point: 222.00 °F. TCC ( 105.56 °C. )
logP (o/w): 2.523 (est)
Shelf Life: 48.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen.
Storage:store under nitrogen.
Soluble in:
 alcohol
 water, slightly
 water, 185.1 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: vanilla
Odor Strength:medium
sweet creamy vanilla smoky
Odor Description:at 100.00 %. sweet creamy vanilla smoky
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
VANILLIN HEXYLENE GLYCOL ACETAL ≥70.0% (sum of isomers)
Odor Description:Sweet, creamy, rich vanilla odor with slightly smoky undertone
For use in vanilla, chocolate, and other fragrances and accords for richness and intense vanilla note; particularly useful in candle and body care fragrances.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
VANILLIN HEXYLENE GLYCOL ACETAL
≥70.0% (sum of isomers)
Odor: Sweet, creamy, rich vanilla odor with slightly smoky undertone
Use: For use in vanilla, chocolate, and other fragrances and accords for richness and intense vanilla note; particularly useful in candle and body care fragrances.
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for vanillin hexylene glycol acetal usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for vanillin hexylene glycol acetal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):52514-66-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :103654
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
Chemidplus:0052514666
 
References:
 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):103654
Pubchem (sid):135061003
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2911.00.5000
ChemSpider:View
 
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musk amberol
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musk tetralin
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vanilla tahitensis fruit absolute CO2 extract
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ethyl vanillin diethyl acetal
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ethyl vanillin hexylene glycol acetal
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vanilla bean oil (vanilla planifolia)
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vanilla cresol
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vanilla fragrance
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country
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french
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vanilla planifolia fruit infusion
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vanilla specialty
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woody
amber formate
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timber propanol
FR
woody epoxide
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For Flavor
 
Potential Uses:
FRvanilla
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-(3'-methoxy-4'-hydroxyphenyl)-4,4,6-trimethyl-1,3-dioxane
2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
 phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-
 

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